2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol

C17H18BrNO — CID 79980667

IUPAC2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol
SMILESOCC(Nc1ccccc1Br)c1cccc(C2CC2)c1
InChIInChI=1S/C17H18BrNO/c18-15-6-1-2-7-16(15)19-17(11-20)14-5-3-4-13(10-14)12-8-9-12/h1-7,10,12,17,19-20H,8-9,11H2
InChIKeyGISRTMZGKNXUNI-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.47
Rot. Bonds5

About 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol

2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol (PubChem CID 79980667) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol
PubChem CID79980667
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol
SMILESOCC(Nc1ccccc1Br)c1cccc(C2CC2)c1
InChIInChI=1S/C17H18BrNO/c18-15-6-1-2-7-16(15)19-17(11-20)14-5-3-4-13(10-14)12-8-9-12/h1-7,10,12,17,19-20H,8-9,11H2
InChIKeyGISRTMZGKNXUNI-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol (CID 79980667) is 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol is OCC(Nc1ccccc1Br)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol?
The InChIKey is GISRTMZGKNXUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-15-6-1-2-7-16(15)19-17(11-20)14-5-3-4-13(10-14)12-8-9-12/h1-7,10,12,17,19-20H,8-9,11H2.
What are the key properties of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol?
2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol has a molecular weight of 332.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79980667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).